SCHEMBL5558008

SCHEMBL5558008

Cc1cc(N)c2cc(OC(=O)Nc3ccc(CNc4ccc5cn[nH]c5c4)cc3)ccc2n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
INSR P06213 1/20 0.45
IGF1R P08069 1/20 0.45
OPRL1 P41146 14/20 0.44
OPRM1 P35372 14/20 0.44
OPRK1 P41145 13/20 0.44
MAPT P10636 1/20 0.43
OPRD1 P41143 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
MEN1 O00255 1/20 0.43
MMP1 P03956 1/20 0.43
MMP9 P14780 1/20 0.43
ALOX15 P16050 1/20 0.43
BLM P54132 1/20 0.43
GNG2 P59768 1/20 0.43
GNB1 P62873 1/20 0.43
KMT2A Q03164 1/20 0.43
CHRM2 P08172 1/20 0.43
CHRM4 P08173 1/20 0.43
ADRA2A P08913 1/20 0.43
CHRM1 P11229 1/20 0.43

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3237712 0.85 FLT1 (0.47) INSRIGF1RMEN1MMP1MMP9
SCHEMBL5553477 0.75 CTNNB1 (0.52) OPRL1OPRM1OPRK1MAPTOPRD1
SCHEMBL5553614 0.75 OPRL1 (0.47) OPRL1OPRM1OPRK1MAPTOPRD1
SCHEMBL5558098 0.74 SMN1; SMN2 (0.48) OPRL1OPRM1OPRK1MAPTOPRD1
SCHEMBL5553552 0.74 OPRL1 (0.50) OPRL1OPRM1OPRK1MAPTOPRD1
SCHEMBL5558062 0.73 CTNNB1 (0.47) OPRL1OPRM1OPRK1MAPTOPRD1
SCHEMBL5559022 0.72 MMP9 (0.52) OPRL1MEN1MMP1MMP9ALOX15
SCHEMBL5559915 0.71 MMP9 (0.49) MEN1MMP1MMP9ALOX15BLM
SCHEMBL5553523 0.71 NPC1 (0.51) OPRL1MAPTMEN1MMP1MMP9
SCHEMBL5558128 0.71 CYP3A4 (0.52) HDAC6MMP1MMP9KMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1509516-B1 INHIBITORS OF THE GPIB -VWF INTERACTION, THEIR PREPARATION AND USE SANOFI AVENTIS DEUTSCHLAND (DE) 2007-01-31 EP claimed